data_1jcp_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1jcp _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.01 135.67 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.762 0.792 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -133.74 113.18 12.04 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.21 70.02 1.19 Allowed Glycine 0 CA--C 1.547 2.041 0 CA-C-O 118.621 -1.099 . . . . 0.0 112.876 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -142.47 90.18 2.21 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 118.798 1.299 . . . . 0.0 108.262 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -150.51 99.14 2.73 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.2 -73.12 0.33 Allowed Glycine 0 N--CA 1.485 1.957 0 CA-C-O 119.973 -0.349 . . . . 0.0 113.034 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.86 132.68 44.74 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.211 0.604 . . . . 0.0 110.768 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -81.83 87.6 6.36 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.91 0.862 . . . . 0.0 110.759 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.09 65.13 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.645 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.5 m . . . . . 0 CA--C 1.57 1.747 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 m -144.14 126.03 15.31 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 124.206 1.955 . . . . 0.0 110.434 179.562 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -91.48 108.22 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -133.99 107.35 7.74 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.23 58.41 4.32 Favored Glycine 0 CA--C 1.551 2.334 0 CA-C-O 118.614 -1.103 . . . . 0.0 114.472 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -110.89 75.41 0.92 Allowed 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 118.735 1.268 . . . . 0.0 110.176 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -155.75 90.68 1.24 Allowed 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.64 -74.08 0.21 Allowed Glycine 0 N--CA 1.486 1.995 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -78.61 119.16 21.47 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tt -83.33 88.19 6.96 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.722 0.773 . . . . 0.0 111.884 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.09 61.58 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.753 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 m . . . . . 0 CA--C 1.573 1.861 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -119.73 122.31 41.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 124.16 1.934 . . . . 0.0 109.112 179.804 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.42 115.61 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 123.998 0.811 . . . . 0.0 109.741 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -138.19 114.48 10.26 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.06 0.544 . . . . 0.0 109.583 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.91 63.2 0.31 Allowed Glycine 0 N--CA 1.487 2.05 0 CA-C-O 118.368 -1.24 . . . . 0.0 114.113 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.08 114.69 24.09 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.039 1.42 . . . . 0.0 111.242 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -163.06 88.8 0.61 Allowed 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.36 -79.12 1.87 Allowed Glycine 0 N--CA 1.487 2.071 0 O-C-N 122.068 -0.395 . . . . 0.0 112.793 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -79.15 134.72 36.7 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.417 0.687 . . . . 0.0 109.417 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.67 82.89 7.25 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.993 0.901 . . . . 0.0 111.857 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.14 63.45 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.639 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.1 m -141.37 113.73 8.14 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 124.194 1.95 . . . . 0.0 110.666 179.746 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.91 116.42 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 123.995 0.809 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -138.21 115.01 10.69 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.45 62.89 0.31 Allowed Glycine 0 N--CA 1.486 1.991 0 CA-C-O 118.352 -1.249 . . . . 0.0 114.164 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.67 114.8 23.89 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.105 1.452 . . . . 0.0 111.295 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -163.13 88.93 0.61 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.52 -79.32 1.84 Allowed Glycine 0 N--CA 1.486 1.988 0 O-C-N 122.064 -0.398 . . . . 0.0 112.706 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -79.38 133.76 36.58 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.435 0.694 . . . . 0.0 109.346 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.72 83.29 7.16 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.009 0.909 . . . . 0.0 111.914 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.83 63.77 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.669 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.3 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.0 m -141.13 93.7 2.62 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 124.214 1.959 . . . . 0.0 108.362 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.188 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.37 129.01 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 123.905 0.753 . . . . 0.0 109.823 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -139.16 118.84 13.09 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.7 91.19 1.28 Allowed Glycine 0 CA--C 1.548 2.124 0 CA-C-O 118.565 -1.13 . . . . 0.0 111.636 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.35 107.03 11.81 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 119.017 1.408 . . . . 0.0 113.242 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -160.48 94.96 1.09 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.15 -57.68 0.62 Allowed Glycine 0 N--CA 1.487 2.039 0 CA-C-O 119.446 -0.641 . . . . 0.0 114.526 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -66.48 124.44 22.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -1.08 18.16 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 119.151 3.019 . . . . 0.0 119.151 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 tp -136.76 116.15 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.523 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.9 m . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 105.013 -2.217 . . . . 0.0 105.013 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 p -119.83 -69.55 0.84 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.849 0.86 . . . . 0.0 109.058 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 122.984 1.373 . . . . 0.0 109.934 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.1 127.31 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 123.964 0.79 . . . . 0.0 109.79 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -139.63 119.25 13.13 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.33 89.98 1.31 Allowed Glycine 0 CA--C 1.549 2.188 0 CA-C-O 118.565 -1.131 . . . . 0.0 111.522 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.04 109.49 12.15 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 118.922 1.361 . . . . 0.0 113.553 -178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -160.15 95.16 1.14 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.01 -57.02 0.72 Allowed Glycine 0 N--CA 1.485 1.95 0 CA-C-O 119.509 -0.606 . . . . 0.0 114.471 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -66.8 121.56 15.73 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -3.99 30.53 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.886 2.921 . . . . 0.0 118.886 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tp -132.85 113.5 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.549 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -127.82 -73.98 0.59 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 119.104 0.865 . . . . 0.0 109.233 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 pp -84.98 123.01 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -138.46 120.58 15.67 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.05 0.54 . . . . 0.0 109.547 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.44 86.28 1.4 Allowed Glycine 0 CA--C 1.55 2.223 0 CA-C-O 118.912 -0.938 . . . . 0.0 110.962 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 121.51 20.06 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 118.561 1.181 . . . . 0.0 114.15 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -154.81 102.17 2.34 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.51 -69.9 0.4 Allowed Glycine 0 N--CA 1.484 1.883 0 N-CA-C 114.633 0.613 . . . . 0.0 114.633 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -69.49 131.31 44.52 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -0.7 29.61 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 tp -128.93 113.73 30.06 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.541 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.1 p -139.74 121.1 14.98 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 124.197 1.951 . . . . 0.0 108.521 179.302 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.2 mm -114.9 141.35 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -85.45 101.09 12.33 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 122.127 0.965 . . . . 0.0 112.124 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.69 -58.18 8.01 Favored Glycine 0 CA--C 1.55 2.219 0 N-CA-C 115.985 1.154 . . . . 0.0 115.985 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -109.33 92.41 4.04 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.532 1.166 . . . . 0.0 108.139 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -135.6 105.25 6.11 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.66 -67.38 0.8 Allowed Glycine 0 N--CA 1.485 1.95 0 CA-C-O 119.937 -0.369 . . . . 0.0 113.305 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 146.6 53.6 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.13 37.87 1.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mm -101.32 83.24 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 N--CA 1.497 1.885 0 CA-C-O 119.009 -0.52 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 p -99.24 86.45 3.42 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 122.835 1.302 . . . . 0.0 109.847 -179.28 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 mm -111.65 145.29 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-O 123.786 1.755 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.3 p90 -97.83 98.4 9.79 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 112.519 -2.128 . . . . 0.0 110.42 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.13 -93.71 0.68 Allowed Glycine 0 CA--C 1.55 2.234 0 N-CA-C 115.851 1.101 . . . . 0.0 115.851 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -145.88 82.29 1.62 Allowed 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 118.839 1.32 . . . . 0.0 108.571 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 p -148.21 74.44 1.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.02 -68.81 0.53 Allowed Glycine 0 N--CA 1.484 1.861 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -74.86 140.68 44.03 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 117.465 0.632 . . . . 0.0 111.485 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.74 48.23 1.5 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mm -105.48 87.27 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.8 p -116.41 59.06 0.75 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 118.985 0.811 . . . . 0.0 109.51 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 122.835 1.302 . . . . 0.0 108.665 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 pp -95.04 146.25 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-O 122.241 1.019 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -90.28 97.49 11.22 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 121.943 0.877 . . . . 0.0 110.483 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.54 65.46 3.05 Favored Glycine 0 CA--C 1.549 2.196 0 CA-C-N 115.598 -0.728 . . . . 0.0 113.563 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 pm0 -154.31 124.33 6.79 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 118.043 0.921 . . . . 0.0 108.646 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 t -82.39 100.1 9.8 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.413 0.625 . . . . 0.0 110.028 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.01 -85.39 0.13 Allowed Glycine 0 N--CA 1.479 1.51 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -88.01 133.9 33.85 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 122.748 0.419 . . . . 0.0 111.42 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mp -98.62 55.44 1.07 Allowed 'General case' 0 CA--C 1.573 1.831 0 CA-C-O 121.302 0.572 . . . . 0.0 109.866 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -166.38 81.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.293 9.0 t . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 118.706 -0.664 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.5 m -92.39 115.71 28.33 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.89 1.329 . . . . 0.0 114.038 -179.605 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.214 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pp -102.86 152.47 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-O 122.931 1.348 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -125.59 123.04 38.17 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.99 62.16 4.24 Favored Glycine 0 CA--C 1.553 2.439 0 N-CA-C 118.664 2.226 . . . . 0.0 118.664 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.2 124.6 0.51 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.532 1.166 . . . . 0.0 108.14 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 t -84.81 100.86 11.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.405 0.622 . . . . 0.0 109.847 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.88 -83.25 0.14 Allowed Glycine 0 N--CA 1.479 1.5 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -84.23 141.27 31.11 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.878 0.471 . . . . 0.0 111.496 178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.42 49.01 1.34 Allowed 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 122.597 0.359 . . . . 0.0 111.456 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -156.86 84.71 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.005 -1.06 . . . . 0.0 108.325 -178.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.309 8.8 t . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 m -102.67 97.65 7.8 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 122.949 1.357 . . . . 0.0 113.857 -179.2 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 pt -102.52 148.55 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 122.159 0.98 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -80.48 97.54 7.17 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-O 122.252 1.025 . . . . 0.0 111.168 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.27 67.4 3.33 Favored Glycine 0 CA--C 1.55 2.247 0 CA-C-N 115.279 -0.873 . . . . 0.0 114.408 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 pm0 -153.86 122.96 6.46 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 118.118 0.959 . . . . 0.0 108.585 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -82.45 97.29 8.32 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 121.533 0.682 . . . . 0.0 110.264 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.2 -85.9 0.11 Allowed Glycine 0 N--CA 1.477 1.426 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -88.61 133.11 34.28 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.652 0.381 . . . . 0.0 111.094 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 mp -98.18 56.57 1.2 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.35 0.595 . . . . 0.0 109.659 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -164.38 77.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.571 1.753 0 CA-C-O 120.488 0.185 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -140.62 111.04 6.73 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 122.848 1.308 . . . . 0.0 112.491 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.53 157.62 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.724 0 C-N-CA 124.118 0.967 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -47.14 -39.17 12.96 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 120.537 3.532 . . . . 0.0 120.537 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.93 -73.06 0.05 OUTLIER Glycine 0 CA--C 1.538 1.527 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -147.77 108.02 4.08 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 119.099 1.449 . . . . 0.0 108.107 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -133.94 112.1 10.98 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.286 0.635 . . . . 0.0 109.992 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.57 -70.14 1.93 Allowed Glycine 0 N--CA 1.485 1.922 0 N-CA-C 115.79 1.076 . . . . 0.0 115.79 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -67.59 132.16 47.01 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -74.2 -29.91 61.95 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 tp -103.95 108.37 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.56 0 N-CA-C 104.567 -2.382 . . . . 0.0 104.567 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -113.2 103.55 11.46 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 124.54 2.114 . . . . 0.0 111.385 -179.615 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 pt -102.52 160.62 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.726 0 O-C-N 124.238 0.961 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -46.4 -39.21 10.07 Favored 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 119.253 3.057 . . . . 0.0 119.253 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.03 -84.93 0.06 OUTLIER Glycine 0 CA--C 1.539 1.556 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -150.98 117.92 5.87 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 119.704 1.752 . . . . 0.0 109.413 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -149.46 110.85 4.45 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.34 -71.7 0.98 Allowed Glycine 0 N--CA 1.484 1.881 0 N-CA-C 114.676 0.63 . . . . 0.0 114.676 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -70.27 131.17 43.77 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.47 -29.43 62.53 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tp -105.21 108.21 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.555 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -101.19 101.09 11.73 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 122.829 1.3 . . . . 0.0 108.877 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mm -110.19 142.55 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.258 23.0 p-90 -56.48 -44.46 80.66 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.6 71.77 0.01 OUTLIER Glycine 0 CA--C 1.544 1.875 0 N-CA-C 108.171 -1.972 . . . . 0.0 108.171 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -145.21 95.25 2.64 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.771 1.285 . . . . 0.0 108.813 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 m -145.63 100.06 3.37 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.03 -100.75 0.22 Allowed Glycine 0 N--CA 1.483 1.804 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -89.04 131.36 35.24 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.3 78.07 9.87 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.911 0.862 . . . . 0.0 112.54 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -138.87 63.6 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.754 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 t -143.95 134.57 24.93 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 119.057 0.844 . . . . 0.0 109.164 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 124.212 1.958 . . . . 0.0 111.609 -179.761 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -109.82 142.58 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.26 22.4 p-90 -56.7 -44.81 81.89 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 118.173 2.657 . . . . 0.0 118.173 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.3 71.87 0.01 OUTLIER Glycine 0 CA--C 1.544 1.85 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -144.58 93.84 2.47 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.759 1.279 . . . . 0.0 108.865 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -147.7 98.16 2.93 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.76 -99.03 0.19 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -88.92 130.11 35.49 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.28 78.34 9.81 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 121.824 0.821 . . . . 0.0 112.652 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -138.38 63.63 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -145.41 135.07 23.4 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 119.12 0.873 . . . . 0.0 109.19 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 122.857 1.313 . . . . 0.0 113.714 -179.786 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.2 mm -99.13 138.41 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.281 6.9 p-90 -61.41 -45.42 94.42 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 118.855 2.909 . . . . 0.0 118.855 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.65 79.05 0.03 OUTLIER Glycine 0 CA--C 1.544 1.889 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -135.57 96.63 3.49 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 118.878 1.339 . . . . 0.0 108.793 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -149.5 99.69 2.92 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.76 -72.35 0.56 Allowed Glycine 0 N--CA 1.486 2.032 0 CA-C-O 120.009 -0.329 . . . . 0.0 113.342 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.78 137.26 49.42 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.288 0.635 . . . . 0.0 111.422 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mt -81.23 85.15 6.42 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 122.148 0.975 . . . . 0.0 111.456 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -144.34 74.91 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.595 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -139.3 73.63 1.44 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 119.334 0.97 . . . . 0.0 108.986 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 124.337 2.018 . . . . 0.0 111.482 -178.741 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.1 mm -110.35 142.65 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.265 28.6 p-90 -55.98 -45.43 78.97 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.3 61.72 0.01 OUTLIER Glycine 0 CA--C 1.545 1.941 0 C-N-CA 124.557 1.075 . . . . 0.0 110.605 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -156.82 88.62 1.05 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 t -152.17 97.1 2.27 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.55 -70.62 0.28 Allowed Glycine 0 N--CA 1.486 1.986 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.061 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -73.12 135.78 44.77 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.27 0.628 . . . . 0.0 110.927 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.35 84.37 7.16 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.871 0.843 . . . . 0.0 110.93 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -140.67 65.09 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.657 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 t -153.01 139.84 19.03 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 119.42 1.009 . . . . 0.0 110.32 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 124.325 2.012 . . . . 0.0 111.891 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.2 mm -111.73 143.02 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.282 33.8 p-90 -56.18 -45.13 79.88 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.33 55.49 0.01 OUTLIER Glycine 0 CA--C 1.546 2.001 0 C-N-CA 124.454 1.026 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -161.1 99.52 1.21 Allowed 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 t -145.19 102.81 3.79 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.23 -94.17 0.13 Allowed Glycine 0 N--CA 1.481 1.661 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.07 135.32 33.67 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.57 81.13 8.49 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.899 0.857 . . . . 0.0 111.496 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -142.93 63.39 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 t -141.49 139.46 33.31 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 119.077 0.853 . . . . 0.0 109.424 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 124.096 1.903 . . . . 0.0 112.036 -179.639 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.54 138.26 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 CA-C-O 122.484 1.135 . . . . 0.0 108.233 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -72.32 -61.26 1.86 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.07 82.41 0.06 OUTLIER Glycine 0 CA--C 1.542 1.767 0 CA-C-O 118.209 -1.328 . . . . 0.0 111.533 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.96 94.79 8.35 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 119.529 1.664 . . . . 0.0 110.804 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -160.26 89.69 0.86 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.53 -74.37 2.37 Favored Glycine 0 N--CA 1.486 2.018 0 O-C-N 122.177 -0.327 . . . . 0.0 113.706 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.4 144.28 42.31 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.458 0.703 . . . . 0.0 111.543 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.54 95.58 5.89 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.443 0.64 . . . . 0.0 110.503 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 tp -152.65 85.12 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.8 p . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.4 p -91.25 -65.75 0.99 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 119.313 0.96 . . . . 0.0 110.265 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 124.459 2.075 . . . . 0.0 112.162 179.858 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.01 135.67 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.762 0.792 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -133.74 113.18 12.04 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.21 70.02 1.19 Allowed Glycine 0 CA--C 1.547 2.041 0 CA-C-O 118.621 -1.099 . . . . 0.0 112.876 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -142.47 90.18 2.21 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 118.798 1.299 . . . . 0.0 108.262 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -150.51 99.14 2.73 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.2 -73.12 0.33 Allowed Glycine 0 N--CA 1.485 1.957 0 CA-C-O 119.973 -0.349 . . . . 0.0 113.034 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.86 132.68 44.74 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.211 0.604 . . . . 0.0 110.768 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -81.83 87.6 6.36 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.91 0.862 . . . . 0.0 110.759 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.09 65.13 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.645 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.5 m . . . . . 0 CA--C 1.57 1.747 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 m -144.14 126.03 15.31 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 124.206 1.955 . . . . 0.0 110.434 179.562 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -91.48 108.22 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -133.99 107.35 7.74 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.23 58.41 4.32 Favored Glycine 0 CA--C 1.551 2.334 0 CA-C-O 118.614 -1.103 . . . . 0.0 114.472 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -110.89 75.41 0.92 Allowed 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 118.735 1.268 . . . . 0.0 110.176 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -155.75 90.68 1.24 Allowed 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.64 -74.08 0.21 Allowed Glycine 0 N--CA 1.486 1.995 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -78.61 119.16 21.47 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tt -83.33 88.19 6.96 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.722 0.773 . . . . 0.0 111.884 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.09 61.58 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.753 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 m . . . . . 0 CA--C 1.573 1.861 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -119.73 122.31 41.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 124.16 1.934 . . . . 0.0 109.112 179.804 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.42 115.61 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 123.998 0.811 . . . . 0.0 109.741 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -138.19 114.48 10.26 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.06 0.544 . . . . 0.0 109.583 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.91 63.2 0.31 Allowed Glycine 0 N--CA 1.487 2.05 0 CA-C-O 118.368 -1.24 . . . . 0.0 114.113 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.08 114.69 24.09 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.039 1.42 . . . . 0.0 111.242 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -163.06 88.8 0.61 Allowed 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.36 -79.12 1.87 Allowed Glycine 0 N--CA 1.487 2.071 0 O-C-N 122.068 -0.395 . . . . 0.0 112.793 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -79.15 134.72 36.7 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.417 0.687 . . . . 0.0 109.417 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.67 82.89 7.25 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.993 0.901 . . . . 0.0 111.857 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.14 63.45 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.639 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.1 m -141.37 113.73 8.14 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 124.194 1.95 . . . . 0.0 110.666 179.746 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.91 116.42 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 123.995 0.809 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -138.21 115.01 10.69 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.45 62.89 0.31 Allowed Glycine 0 N--CA 1.486 1.991 0 CA-C-O 118.352 -1.249 . . . . 0.0 114.164 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.67 114.8 23.89 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.105 1.452 . . . . 0.0 111.295 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -163.13 88.93 0.61 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.52 -79.32 1.84 Allowed Glycine 0 N--CA 1.486 1.988 0 O-C-N 122.064 -0.398 . . . . 0.0 112.706 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -79.38 133.76 36.58 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.435 0.694 . . . . 0.0 109.346 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.72 83.29 7.16 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.009 0.909 . . . . 0.0 111.914 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.83 63.77 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.669 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.3 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.0 m -141.13 93.7 2.62 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 124.214 1.959 . . . . 0.0 108.362 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.188 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.37 129.01 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 123.905 0.753 . . . . 0.0 109.823 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -139.16 118.84 13.09 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.7 91.19 1.28 Allowed Glycine 0 CA--C 1.548 2.124 0 CA-C-O 118.565 -1.13 . . . . 0.0 111.636 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.35 107.03 11.81 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 119.017 1.408 . . . . 0.0 113.242 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -160.48 94.96 1.09 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.15 -57.68 0.62 Allowed Glycine 0 N--CA 1.487 2.039 0 CA-C-O 119.446 -0.641 . . . . 0.0 114.526 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -66.48 124.44 22.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -1.08 18.16 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 119.151 3.019 . . . . 0.0 119.151 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 tp -136.76 116.15 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.523 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.9 m . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 105.013 -2.217 . . . . 0.0 105.013 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 p -119.83 -69.55 0.84 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.849 0.86 . . . . 0.0 109.058 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 122.984 1.373 . . . . 0.0 109.934 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.1 127.31 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 123.964 0.79 . . . . 0.0 109.79 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -139.63 119.25 13.13 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.33 89.98 1.31 Allowed Glycine 0 CA--C 1.549 2.188 0 CA-C-O 118.565 -1.131 . . . . 0.0 111.522 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.04 109.49 12.15 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 118.922 1.361 . . . . 0.0 113.553 -178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -160.15 95.16 1.14 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.01 -57.02 0.72 Allowed Glycine 0 N--CA 1.485 1.95 0 CA-C-O 119.509 -0.606 . . . . 0.0 114.471 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -66.8 121.56 15.73 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' H ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -73.32 -3.99 30.53 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.886 2.921 . . . . 0.0 118.886 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tp -132.85 113.5 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.549 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -127.82 -73.98 0.59 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 119.104 0.865 . . . . 0.0 109.233 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 pp -84.98 123.01 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -138.46 120.58 15.67 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.05 0.54 . . . . 0.0 109.547 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.44 86.28 1.4 Allowed Glycine 0 CA--C 1.55 2.223 0 CA-C-O 118.912 -0.938 . . . . 0.0 110.962 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 121.51 20.06 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 118.561 1.181 . . . . 0.0 114.15 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -154.81 102.17 2.34 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.51 -69.9 0.4 Allowed Glycine 0 N--CA 1.484 1.883 0 N-CA-C 114.633 0.613 . . . . 0.0 114.633 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -69.49 131.31 44.52 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -78.23 -0.7 29.61 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 tp -128.93 113.73 30.06 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.541 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.1 p -139.74 121.1 14.98 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 124.197 1.951 . . . . 0.0 108.521 179.302 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.2 mm -114.9 141.35 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -85.45 101.09 12.33 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 122.127 0.965 . . . . 0.0 112.124 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.69 -58.18 8.01 Favored Glycine 0 CA--C 1.55 2.219 0 N-CA-C 115.985 1.154 . . . . 0.0 115.985 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -109.33 92.41 4.04 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.532 1.166 . . . . 0.0 108.139 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -135.6 105.25 6.11 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.66 -67.38 0.8 Allowed Glycine 0 N--CA 1.485 1.95 0 CA-C-O 119.937 -0.369 . . . . 0.0 113.305 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 146.6 53.6 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.13 37.87 1.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mm -101.32 83.24 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 N--CA 1.497 1.885 0 CA-C-O 119.009 -0.52 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 p -99.24 86.45 3.42 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 122.835 1.302 . . . . 0.0 109.847 -179.28 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 mm -111.65 145.29 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-O 123.786 1.755 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.3 p90 -97.83 98.4 9.79 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 112.519 -2.128 . . . . 0.0 110.42 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.13 -93.71 0.68 Allowed Glycine 0 CA--C 1.55 2.234 0 N-CA-C 115.851 1.101 . . . . 0.0 115.851 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -145.88 82.29 1.62 Allowed 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 118.839 1.32 . . . . 0.0 108.571 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 p -148.21 74.44 1.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.02 -68.81 0.53 Allowed Glycine 0 N--CA 1.484 1.861 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -74.86 140.68 44.03 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 117.465 0.632 . . . . 0.0 111.485 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.74 48.23 1.5 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mm -105.48 87.27 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.8 p -116.41 59.06 0.75 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 118.985 0.811 . . . . 0.0 109.51 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 122.835 1.302 . . . . 0.0 108.665 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 pp -95.04 146.25 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-O 122.241 1.019 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -90.28 97.49 11.22 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 121.943 0.877 . . . . 0.0 110.483 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.54 65.46 3.05 Favored Glycine 0 CA--C 1.549 2.196 0 CA-C-N 115.598 -0.728 . . . . 0.0 113.563 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 pm0 -154.31 124.33 6.79 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 118.043 0.921 . . . . 0.0 108.646 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 t -82.39 100.1 9.8 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.413 0.625 . . . . 0.0 110.028 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.01 -85.39 0.13 Allowed Glycine 0 N--CA 1.479 1.51 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -88.01 133.9 33.85 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 122.748 0.419 . . . . 0.0 111.42 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mp -98.62 55.44 1.07 Allowed 'General case' 0 CA--C 1.573 1.831 0 CA-C-O 121.302 0.572 . . . . 0.0 109.866 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -166.38 81.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.293 9.0 t . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 118.706 -0.664 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.5 m -92.39 115.71 28.33 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.89 1.329 . . . . 0.0 114.038 -179.605 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.214 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pp -102.86 152.47 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-O 122.931 1.348 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -125.59 123.04 38.17 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.99 62.16 4.24 Favored Glycine 0 CA--C 1.553 2.439 0 N-CA-C 118.664 2.226 . . . . 0.0 118.664 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.2 124.6 0.51 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.532 1.166 . . . . 0.0 108.14 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 t -84.81 100.86 11.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.405 0.622 . . . . 0.0 109.847 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.88 -83.25 0.14 Allowed Glycine 0 N--CA 1.479 1.5 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -84.23 141.27 31.11 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.878 0.471 . . . . 0.0 111.496 178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.42 49.01 1.34 Allowed 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 122.597 0.359 . . . . 0.0 111.456 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -156.86 84.71 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.005 -1.06 . . . . 0.0 108.325 -178.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.309 8.8 t . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 m -102.67 97.65 7.8 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 122.949 1.357 . . . . 0.0 113.857 -179.2 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 pt -102.52 148.55 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 122.159 0.98 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -80.48 97.54 7.17 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-O 122.252 1.025 . . . . 0.0 111.168 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.27 67.4 3.33 Favored Glycine 0 CA--C 1.55 2.247 0 CA-C-N 115.279 -0.873 . . . . 0.0 114.408 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 pm0 -153.86 122.96 6.46 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 118.118 0.959 . . . . 0.0 108.585 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -82.45 97.29 8.32 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 121.533 0.682 . . . . 0.0 110.264 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.2 -85.9 0.11 Allowed Glycine 0 N--CA 1.477 1.426 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -88.61 133.11 34.28 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.652 0.381 . . . . 0.0 111.094 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 mp -98.18 56.57 1.2 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.35 0.595 . . . . 0.0 109.659 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -164.38 77.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.571 1.753 0 CA-C-O 120.488 0.185 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -140.62 111.04 6.73 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 122.848 1.308 . . . . 0.0 112.491 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.53 157.62 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.724 0 C-N-CA 124.118 0.967 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -47.14 -39.17 12.96 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 120.537 3.532 . . . . 0.0 120.537 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.93 -73.06 0.05 OUTLIER Glycine 0 CA--C 1.538 1.527 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -147.77 108.02 4.08 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 119.099 1.449 . . . . 0.0 108.107 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -133.94 112.1 10.98 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.286 0.635 . . . . 0.0 109.992 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.57 -70.14 1.93 Allowed Glycine 0 N--CA 1.485 1.922 0 N-CA-C 115.79 1.076 . . . . 0.0 115.79 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -67.59 132.16 47.01 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -74.2 -29.91 61.95 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 tp -103.95 108.37 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.56 0 N-CA-C 104.567 -2.382 . . . . 0.0 104.567 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -113.2 103.55 11.46 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 124.54 2.114 . . . . 0.0 111.385 -179.615 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 pt -102.52 160.62 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.726 0 O-C-N 124.238 0.961 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -46.4 -39.21 10.07 Favored 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 119.253 3.057 . . . . 0.0 119.253 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.03 -84.93 0.06 OUTLIER Glycine 0 CA--C 1.539 1.556 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -150.98 117.92 5.87 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 119.704 1.752 . . . . 0.0 109.413 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -149.46 110.85 4.45 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.34 -71.7 0.98 Allowed Glycine 0 N--CA 1.484 1.881 0 N-CA-C 114.676 0.63 . . . . 0.0 114.676 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -70.27 131.17 43.77 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.47 -29.43 62.53 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tp -105.21 108.21 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.555 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -101.19 101.09 11.73 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 122.829 1.3 . . . . 0.0 108.877 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mm -110.19 142.55 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.258 23.0 p-90 -56.48 -44.46 80.66 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.6 71.77 0.01 OUTLIER Glycine 0 CA--C 1.544 1.875 0 N-CA-C 108.171 -1.972 . . . . 0.0 108.171 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -145.21 95.25 2.64 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.771 1.285 . . . . 0.0 108.813 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 m -145.63 100.06 3.37 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.03 -100.75 0.22 Allowed Glycine 0 N--CA 1.483 1.804 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -89.04 131.36 35.24 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.3 78.07 9.87 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.911 0.862 . . . . 0.0 112.54 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -138.87 63.6 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.754 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 t -143.95 134.57 24.93 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 119.057 0.844 . . . . 0.0 109.164 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 124.212 1.958 . . . . 0.0 111.609 -179.761 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -109.82 142.58 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.26 22.4 p-90 -56.7 -44.81 81.89 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 118.173 2.657 . . . . 0.0 118.173 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.3 71.87 0.01 OUTLIER Glycine 0 CA--C 1.544 1.85 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -144.58 93.84 2.47 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.759 1.279 . . . . 0.0 108.865 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -147.7 98.16 2.93 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.76 -99.03 0.19 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -88.92 130.11 35.49 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.28 78.34 9.81 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 121.824 0.821 . . . . 0.0 112.652 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -138.38 63.63 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -145.41 135.07 23.4 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 119.12 0.873 . . . . 0.0 109.19 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 122.857 1.313 . . . . 0.0 113.714 -179.786 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.2 mm -99.13 138.41 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.281 6.9 p-90 -61.41 -45.42 94.42 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 118.855 2.909 . . . . 0.0 118.855 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.65 79.05 0.03 OUTLIER Glycine 0 CA--C 1.544 1.889 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -135.57 96.63 3.49 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 118.878 1.339 . . . . 0.0 108.793 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -149.5 99.69 2.92 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.76 -72.35 0.56 Allowed Glycine 0 N--CA 1.486 2.032 0 CA-C-O 120.009 -0.329 . . . . 0.0 113.342 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.78 137.26 49.42 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.288 0.635 . . . . 0.0 111.422 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mt -81.23 85.15 6.42 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 122.148 0.975 . . . . 0.0 111.456 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -144.34 74.91 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.595 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -139.3 73.63 1.44 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 119.334 0.97 . . . . 0.0 108.986 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 124.337 2.018 . . . . 0.0 111.482 -178.741 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.1 mm -110.35 142.65 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.265 28.6 p-90 -55.98 -45.43 78.97 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.3 61.72 0.01 OUTLIER Glycine 0 CA--C 1.545 1.941 0 C-N-CA 124.557 1.075 . . . . 0.0 110.605 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -156.82 88.62 1.05 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 t -152.17 97.1 2.27 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.55 -70.62 0.28 Allowed Glycine 0 N--CA 1.486 1.986 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.061 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -73.12 135.78 44.77 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.27 0.628 . . . . 0.0 110.927 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.35 84.37 7.16 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.871 0.843 . . . . 0.0 110.93 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -140.67 65.09 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.657 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 t -153.01 139.84 19.03 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 119.42 1.009 . . . . 0.0 110.32 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 124.325 2.012 . . . . 0.0 111.891 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.2 mm -111.73 143.02 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.282 33.8 p-90 -56.18 -45.13 79.88 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.33 55.49 0.01 OUTLIER Glycine 0 CA--C 1.546 2.001 0 C-N-CA 124.454 1.026 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -161.1 99.52 1.21 Allowed 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 t -145.19 102.81 3.79 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.23 -94.17 0.13 Allowed Glycine 0 N--CA 1.481 1.661 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.07 135.32 33.67 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.57 81.13 8.49 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.899 0.857 . . . . 0.0 111.496 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -142.93 63.39 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 t -141.49 139.46 33.31 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 119.077 0.853 . . . . 0.0 109.424 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 124.096 1.903 . . . . 0.0 112.036 -179.639 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.54 138.26 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 CA-C-O 122.484 1.135 . . . . 0.0 108.233 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -72.32 -61.26 1.86 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.07 82.41 0.06 OUTLIER Glycine 0 CA--C 1.542 1.767 0 CA-C-O 118.209 -1.328 . . . . 0.0 111.533 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.96 94.79 8.35 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 119.529 1.664 . . . . 0.0 110.804 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -160.26 89.69 0.86 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.53 -74.37 2.37 Favored Glycine 0 N--CA 1.486 2.018 0 O-C-N 122.177 -0.327 . . . . 0.0 113.706 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.4 144.28 42.31 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.458 0.703 . . . . 0.0 111.543 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.54 95.58 5.89 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.443 0.64 . . . . 0.0 110.503 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 tp -152.65 85.12 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.8 p . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.4 p -91.25 -65.75 0.99 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 119.313 0.96 . . . . 0.0 110.265 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 124.459 2.075 . . . . 0.0 112.162 179.858 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.01 135.67 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.762 0.792 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -133.74 113.18 12.04 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.21 70.02 1.19 Allowed Glycine 0 CA--C 1.547 2.041 0 CA-C-O 118.621 -1.099 . . . . 0.0 112.876 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -142.47 90.18 2.21 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 118.798 1.299 . . . . 0.0 108.262 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -150.51 99.14 2.73 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.2 -73.12 0.33 Allowed Glycine 0 N--CA 1.485 1.957 0 CA-C-O 119.973 -0.349 . . . . 0.0 113.034 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.86 132.68 44.74 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.211 0.604 . . . . 0.0 110.768 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -81.83 87.6 6.36 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.91 0.862 . . . . 0.0 110.759 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.09 65.13 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.645 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.5 m . . . . . 0 CA--C 1.57 1.747 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 m -144.14 126.03 15.31 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 124.206 1.955 . . . . 0.0 110.434 179.562 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -91.48 108.22 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -133.99 107.35 7.74 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.23 58.41 4.32 Favored Glycine 0 CA--C 1.551 2.334 0 CA-C-O 118.614 -1.103 . . . . 0.0 114.472 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -110.89 75.41 0.92 Allowed 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 118.735 1.268 . . . . 0.0 110.176 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -155.75 90.68 1.24 Allowed 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.64 -74.08 0.21 Allowed Glycine 0 N--CA 1.486 1.995 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -78.61 119.16 21.47 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 tt -83.33 88.19 6.96 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.722 0.773 . . . . 0.0 111.884 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.09 61.58 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.753 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 m . . . . . 0 CA--C 1.573 1.861 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -119.73 122.31 41.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 124.16 1.934 . . . . 0.0 109.112 179.804 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.42 115.61 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 123.998 0.811 . . . . 0.0 109.741 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -138.19 114.48 10.26 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.06 0.544 . . . . 0.0 109.583 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.91 63.2 0.31 Allowed Glycine 0 N--CA 1.487 2.05 0 CA-C-O 118.368 -1.24 . . . . 0.0 114.113 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.08 114.69 24.09 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.039 1.42 . . . . 0.0 111.242 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -163.06 88.8 0.61 Allowed 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.36 -79.12 1.87 Allowed Glycine 0 N--CA 1.487 2.071 0 O-C-N 122.068 -0.395 . . . . 0.0 112.793 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -79.15 134.72 36.7 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.417 0.687 . . . . 0.0 109.417 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.67 82.89 7.25 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.993 0.901 . . . . 0.0 111.857 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.14 63.45 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.639 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.1 m -141.37 113.73 8.14 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 124.194 1.95 . . . . 0.0 110.666 179.746 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.91 116.42 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 123.995 0.809 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -138.21 115.01 10.69 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.45 62.89 0.31 Allowed Glycine 0 N--CA 1.486 1.991 0 CA-C-O 118.352 -1.249 . . . . 0.0 114.164 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.67 114.8 23.89 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.105 1.452 . . . . 0.0 111.295 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -163.13 88.93 0.61 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.52 -79.32 1.84 Allowed Glycine 0 N--CA 1.486 1.988 0 O-C-N 122.064 -0.398 . . . . 0.0 112.706 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -79.38 133.76 36.58 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.435 0.694 . . . . 0.0 109.346 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.72 83.29 7.16 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.009 0.909 . . . . 0.0 111.914 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.83 63.77 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.669 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.3 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.0 m -141.13 93.7 2.62 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 124.214 1.959 . . . . 0.0 108.362 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.188 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.37 129.01 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 123.905 0.753 . . . . 0.0 109.823 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -139.16 118.84 13.09 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.7 91.19 1.28 Allowed Glycine 0 CA--C 1.548 2.124 0 CA-C-O 118.565 -1.13 . . . . 0.0 111.636 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.35 107.03 11.81 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 119.017 1.408 . . . . 0.0 113.242 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -160.48 94.96 1.09 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.15 -57.68 0.62 Allowed Glycine 0 N--CA 1.487 2.039 0 CA-C-O 119.446 -0.641 . . . . 0.0 114.526 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -66.48 124.44 22.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -1.08 18.16 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 119.151 3.019 . . . . 0.0 119.151 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 tp -136.76 116.15 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.523 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.9 m . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 105.013 -2.217 . . . . 0.0 105.013 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 p -119.83 -69.55 0.84 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.849 0.86 . . . . 0.0 109.058 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 122.984 1.373 . . . . 0.0 109.934 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.1 127.31 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 123.964 0.79 . . . . 0.0 109.79 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -139.63 119.25 13.13 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.33 89.98 1.31 Allowed Glycine 0 CA--C 1.549 2.188 0 CA-C-O 118.565 -1.131 . . . . 0.0 111.522 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.04 109.49 12.15 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 118.922 1.361 . . . . 0.0 113.553 -178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -160.15 95.16 1.14 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.01 -57.02 0.72 Allowed Glycine 0 N--CA 1.485 1.95 0 CA-C-O 119.509 -0.606 . . . . 0.0 114.471 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -66.8 121.56 15.73 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' H ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -73.32 -3.99 30.53 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.886 2.921 . . . . 0.0 118.886 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tp -132.85 113.5 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.549 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -127.82 -73.98 0.59 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 119.104 0.865 . . . . 0.0 109.233 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 pp -84.98 123.01 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -138.46 120.58 15.67 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.05 0.54 . . . . 0.0 109.547 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.44 86.28 1.4 Allowed Glycine 0 CA--C 1.55 2.223 0 CA-C-O 118.912 -0.938 . . . . 0.0 110.962 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 121.51 20.06 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 118.561 1.181 . . . . 0.0 114.15 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -154.81 102.17 2.34 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.51 -69.9 0.4 Allowed Glycine 0 N--CA 1.484 1.883 0 N-CA-C 114.633 0.613 . . . . 0.0 114.633 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -69.49 131.31 44.52 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' H ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -78.23 -0.7 29.61 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 tp -128.93 113.73 30.06 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.541 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.1 p -139.74 121.1 14.98 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 124.197 1.951 . . . . 0.0 108.521 179.302 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.2 mm -114.9 141.35 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -85.45 101.09 12.33 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 122.127 0.965 . . . . 0.0 112.124 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.69 -58.18 8.01 Favored Glycine 0 CA--C 1.55 2.219 0 N-CA-C 115.985 1.154 . . . . 0.0 115.985 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -109.33 92.41 4.04 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.532 1.166 . . . . 0.0 108.139 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -135.6 105.25 6.11 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.66 -67.38 0.8 Allowed Glycine 0 N--CA 1.485 1.95 0 CA-C-O 119.937 -0.369 . . . . 0.0 113.305 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 146.6 53.6 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.13 37.87 1.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mm -101.32 83.24 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 N--CA 1.497 1.885 0 CA-C-O 119.009 -0.52 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 p -99.24 86.45 3.42 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 122.835 1.302 . . . . 0.0 109.847 -179.28 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 mm -111.65 145.29 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-O 123.786 1.755 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.3 p90 -97.83 98.4 9.79 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 112.519 -2.128 . . . . 0.0 110.42 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.13 -93.71 0.68 Allowed Glycine 0 CA--C 1.55 2.234 0 N-CA-C 115.851 1.101 . . . . 0.0 115.851 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -145.88 82.29 1.62 Allowed 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 118.839 1.32 . . . . 0.0 108.571 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 p -148.21 74.44 1.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.02 -68.81 0.53 Allowed Glycine 0 N--CA 1.484 1.861 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -74.86 140.68 44.03 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 117.465 0.632 . . . . 0.0 111.485 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.74 48.23 1.5 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mm -105.48 87.27 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.8 p -116.41 59.06 0.75 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 118.985 0.811 . . . . 0.0 109.51 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 122.835 1.302 . . . . 0.0 108.665 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 pp -95.04 146.25 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-O 122.241 1.019 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -90.28 97.49 11.22 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 121.943 0.877 . . . . 0.0 110.483 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.54 65.46 3.05 Favored Glycine 0 CA--C 1.549 2.196 0 CA-C-N 115.598 -0.728 . . . . 0.0 113.563 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 pm0 -154.31 124.33 6.79 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 118.043 0.921 . . . . 0.0 108.646 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 t -82.39 100.1 9.8 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.413 0.625 . . . . 0.0 110.028 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.01 -85.39 0.13 Allowed Glycine 0 N--CA 1.479 1.51 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -88.01 133.9 33.85 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 122.748 0.419 . . . . 0.0 111.42 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mp -98.62 55.44 1.07 Allowed 'General case' 0 CA--C 1.573 1.831 0 CA-C-O 121.302 0.572 . . . . 0.0 109.866 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -166.38 81.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.293 9.0 t . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 118.706 -0.664 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.5 m -92.39 115.71 28.33 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.89 1.329 . . . . 0.0 114.038 -179.605 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.214 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pp -102.86 152.47 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-O 122.931 1.348 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -125.59 123.04 38.17 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.99 62.16 4.24 Favored Glycine 0 CA--C 1.553 2.439 0 N-CA-C 118.664 2.226 . . . . 0.0 118.664 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.2 124.6 0.51 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 118.532 1.166 . . . . 0.0 108.14 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 t -84.81 100.86 11.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.405 0.622 . . . . 0.0 109.847 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.88 -83.25 0.14 Allowed Glycine 0 N--CA 1.479 1.5 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -84.23 141.27 31.11 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.878 0.471 . . . . 0.0 111.496 178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.42 49.01 1.34 Allowed 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 122.597 0.359 . . . . 0.0 111.456 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -156.86 84.71 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.005 -1.06 . . . . 0.0 108.325 -178.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.309 8.8 t . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 m -102.67 97.65 7.8 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 122.949 1.357 . . . . 0.0 113.857 -179.2 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 pt -102.52 148.55 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 CA-C-O 122.159 0.98 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -80.48 97.54 7.17 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-O 122.252 1.025 . . . . 0.0 111.168 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.27 67.4 3.33 Favored Glycine 0 CA--C 1.55 2.247 0 CA-C-N 115.279 -0.873 . . . . 0.0 114.408 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 pm0 -153.86 122.96 6.46 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 118.118 0.959 . . . . 0.0 108.585 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -82.45 97.29 8.32 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 121.533 0.682 . . . . 0.0 110.264 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.2 -85.9 0.11 Allowed Glycine 0 N--CA 1.477 1.426 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -88.61 133.11 34.28 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.652 0.381 . . . . 0.0 111.094 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 mp -98.18 56.57 1.2 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.35 0.595 . . . . 0.0 109.659 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -164.38 77.9 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.571 1.753 0 CA-C-O 120.488 0.185 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -140.62 111.04 6.73 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 122.848 1.308 . . . . 0.0 112.491 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.53 157.62 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.724 0 C-N-CA 124.118 0.967 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -47.14 -39.17 12.96 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 120.537 3.532 . . . . 0.0 120.537 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.93 -73.06 0.05 OUTLIER Glycine 0 CA--C 1.538 1.527 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -147.77 108.02 4.08 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 119.099 1.449 . . . . 0.0 108.107 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -133.94 112.1 10.98 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.286 0.635 . . . . 0.0 109.992 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.57 -70.14 1.93 Allowed Glycine 0 N--CA 1.485 1.922 0 N-CA-C 115.79 1.076 . . . . 0.0 115.79 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -67.59 132.16 47.01 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -74.2 -29.91 61.95 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 tp -103.95 108.37 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.56 0 N-CA-C 104.567 -2.382 . . . . 0.0 104.567 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -113.2 103.55 11.46 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 124.54 2.114 . . . . 0.0 111.385 -179.615 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 pt -102.52 160.62 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.726 0 O-C-N 124.238 0.961 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -46.4 -39.21 10.07 Favored 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 119.253 3.057 . . . . 0.0 119.253 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.03 -84.93 0.06 OUTLIER Glycine 0 CA--C 1.539 1.556 0 N-CA-C 108.1 -2.0 . . . . 0.0 108.1 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -150.98 117.92 5.87 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 119.704 1.752 . . . . 0.0 109.413 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -149.46 110.85 4.45 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.34 -71.7 0.98 Allowed Glycine 0 N--CA 1.484 1.881 0 N-CA-C 114.676 0.63 . . . . 0.0 114.676 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -70.27 131.17 43.77 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.47 -29.43 62.53 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tp -105.21 108.21 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.555 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -101.19 101.09 11.73 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 122.829 1.3 . . . . 0.0 108.877 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mm -110.19 142.55 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.258 23.0 p-90 -56.48 -44.46 80.66 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 118.152 2.649 . . . . 0.0 118.152 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.6 71.77 0.01 OUTLIER Glycine 0 CA--C 1.544 1.875 0 N-CA-C 108.171 -1.972 . . . . 0.0 108.171 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -145.21 95.25 2.64 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.771 1.285 . . . . 0.0 108.813 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 m -145.63 100.06 3.37 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.03 -100.75 0.22 Allowed Glycine 0 N--CA 1.483 1.804 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -89.04 131.36 35.24 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.3 78.07 9.87 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.911 0.862 . . . . 0.0 112.54 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -138.87 63.6 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.754 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 t -143.95 134.57 24.93 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 119.057 0.844 . . . . 0.0 109.164 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 124.212 1.958 . . . . 0.0 111.609 -179.761 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -109.82 142.58 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.26 22.4 p-90 -56.7 -44.81 81.89 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 118.173 2.657 . . . . 0.0 118.173 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.3 71.87 0.01 OUTLIER Glycine 0 CA--C 1.544 1.85 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -144.58 93.84 2.47 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.759 1.279 . . . . 0.0 108.865 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -147.7 98.16 2.93 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.76 -99.03 0.19 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -88.92 130.11 35.49 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.28 78.34 9.81 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 121.824 0.821 . . . . 0.0 112.652 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -138.38 63.63 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -145.41 135.07 23.4 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 119.12 0.873 . . . . 0.0 109.19 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 122.857 1.313 . . . . 0.0 113.714 -179.786 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.2 mm -99.13 138.41 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.281 6.9 p-90 -61.41 -45.42 94.42 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 118.855 2.909 . . . . 0.0 118.855 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.65 79.05 0.03 OUTLIER Glycine 0 CA--C 1.544 1.889 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -135.57 96.63 3.49 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 118.878 1.339 . . . . 0.0 108.793 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -149.5 99.69 2.92 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.76 -72.35 0.56 Allowed Glycine 0 N--CA 1.486 2.032 0 CA-C-O 120.009 -0.329 . . . . 0.0 113.342 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.78 137.26 49.42 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.288 0.635 . . . . 0.0 111.422 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mt -81.23 85.15 6.42 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 122.148 0.975 . . . . 0.0 111.456 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -144.34 74.91 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.595 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -139.3 73.63 1.44 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 119.334 0.97 . . . . 0.0 108.986 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 124.337 2.018 . . . . 0.0 111.482 -178.741 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.1 mm -110.35 142.65 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.265 28.6 p-90 -55.98 -45.43 78.97 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.3 61.72 0.01 OUTLIER Glycine 0 CA--C 1.545 1.941 0 C-N-CA 124.557 1.075 . . . . 0.0 110.605 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -156.82 88.62 1.05 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 t -152.17 97.1 2.27 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.55 -70.62 0.28 Allowed Glycine 0 N--CA 1.486 1.986 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.061 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -73.12 135.78 44.77 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.27 0.628 . . . . 0.0 110.927 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.35 84.37 7.16 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.871 0.843 . . . . 0.0 110.93 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -140.67 65.09 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.657 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 t -153.01 139.84 19.03 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 119.42 1.009 . . . . 0.0 110.32 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 124.325 2.012 . . . . 0.0 111.891 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.2 mm -111.73 143.02 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.282 33.8 p-90 -56.18 -45.13 79.88 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.33 55.49 0.01 OUTLIER Glycine 0 CA--C 1.546 2.001 0 C-N-CA 124.454 1.026 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -161.1 99.52 1.21 Allowed 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 t -145.19 102.81 3.79 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.23 -94.17 0.13 Allowed Glycine 0 N--CA 1.481 1.661 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.07 135.32 33.67 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.57 81.13 8.49 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.899 0.857 . . . . 0.0 111.496 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -142.93 63.39 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 t -141.49 139.46 33.31 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 119.077 0.853 . . . . 0.0 109.424 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 124.096 1.903 . . . . 0.0 112.036 -179.639 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.54 138.26 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 CA-C-O 122.484 1.135 . . . . 0.0 108.233 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -72.32 -61.26 1.86 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.07 82.41 0.06 OUTLIER Glycine 0 CA--C 1.542 1.767 0 CA-C-O 118.209 -1.328 . . . . 0.0 111.533 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.96 94.79 8.35 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 119.529 1.664 . . . . 0.0 110.804 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -160.26 89.69 0.86 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.53 -74.37 2.37 Favored Glycine 0 N--CA 1.486 2.018 0 O-C-N 122.177 -0.327 . . . . 0.0 113.706 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.4 144.28 42.31 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.458 0.703 . . . . 0.0 111.543 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.54 95.58 5.89 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.443 0.64 . . . . 0.0 110.503 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 tp -152.65 85.12 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.8 p . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.4 p -91.25 -65.75 0.99 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 119.313 0.96 . . . . 0.0 110.265 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 124.459 2.075 . . . . 0.0 112.162 179.858 . . . . . . . . 0 0 . 1 stop_ save_